2,4-Dimethylbenzenethiol supplier

Name
2,4-Dimethylbenzenethiol
EINECS 237-100-0
CAS No. 13616-82-5
Article Data24
CAS DataBase
Density 1.027 g/cm³
Solubility
Melting Point -30°C (estimate)
Formula C₈H₁₀S
Boiling Point 208 °C at 760 mmHg
Molecular Weight 138.233
Flash Point 58.3 °C
Transport Information UN 1993 3/PG 3
Appearance clear yellow liquid
Safety 26-36/37/39-37/39-36-7/9
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2,4-Xylenethiol(6CI,7CI,8CI);2,4-Dimethylthiophenol;2,4-Thioxylenol;NSC 202925;
PSA 38.80000
LogP 2.59210

Synthetic route

: 609-60-9
2,4-dimethylbenzenesulfonyl chloride

: 13616-82-5
2,4-dimethyl-thiophenol

Conditions

Conditions	Yield
With ISOPROPYLAMIDE; dimethylsilicon dichloride; zinc In 1,2-dichloro-ethane at 75℃; for 1.5h;	95%
With sulfuric acid; zinc In water 1.) 0 deg C, 1 h, 2.) reflux, 6 h;	69%
With sulfuric acid; zinc
With sulfuric acid; zinc
Multi-step reaction with 3 steps 1: sodium hydrogensulfite; sodium hydroxide / water / 3 h / 40 - 50 °C / pH 6 / Inert atmosphere 2: sulfur dioxide / water / 8 h / 115 °C / Inert atmosphere 3: sodium tetrahydroborate; sodium hydroxide / water; ethanol / 3 h / 78 - 80 °C / Inert atmosphere View Scheme

: 89816-81-9
2,4-dimethylphenyl ethyl xanthate

: 13616-82-5
2,4-dimethyl-thiophenol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In diethyl ether for 3h; Heating;	93%
With potassium hydroxide In ethanol at 76 - 78℃;	8.2 g

: 2127-03-9
2,2'-dipyridyldisulphide

: 88-61-9
2,4-dimethylbenzenesulfonic acid

: 603-35-0
triphenylphosphine

A: 2637-34-5
2-Mercaptopyridine

B: 13616-82-5
2,4-dimethyl-thiophenol

C: 791-28-6
Triphenylphosphine oxide

Conditions

Conditions	Yield
In benzene for 2h; Product distribution; Mechanism; Heating; further reaction partners - various diaryl disulfides;	A n/a B 92% C 88%

...Expand

: 13616-83-6
1,2-bis(2,4-dimethylphenyl)disulfane

: 13616-82-5
2,4-dimethyl-thiophenol

Conditions

Conditions	Yield
With sodium tetrahydroborate; sodium hydroxide In ethanol; water at 78 - 80℃; for 3h; Inert atmosphere;	90.4%

: 827-21-4
m-xylene-4-sulphonic acid sodium salt

: 13616-82-5
2,4-dimethyl-thiophenol

Conditions

Conditions	Yield
With triphenylphosphine; 18-crown-6 ether; iodine In benzene for 41h; Heating;	63%
With 18-crown-6 ether; iodine; triphenylphosphine In benzene for 41h; Heating;	63%

: 45869-23-6
2,4-dimethyl-benzenesulfinic acid

: 13616-82-5
2,4-dimethyl-thiophenol

Conditions

Conditions	Yield
With sulfuric acid; zinc

: 95-68-1
2,4-Xylidine

: 13616-82-5
2,4-dimethyl-thiophenol

Conditions

Conditions	Yield
(i) aq. NaNO2, aq. HCl, (ii) potassium ethylxanthate, (iii) KOEt, EtOH; Multistep reaction;
(i) NaNO2, aq. HCl, (ii) aq. EtOCS2K; Multistep reaction;
Multi-step reaction with 2 steps 1: 1. conc. hydrochloric acid, NaNO2; / 1. 0 degC, 30min.; 2. 40 - 45 degC 2: 93 percent / LiAlH4 / diethyl ether / 3 h / Heating View Scheme
Multi-step reaction with 2 steps 1.1: hydrogenchloride; sodium nitrite / water / 1 h / 0 - 5 °C 1.2: 2 h 2.1: potassium hydroxide / ethanol / 76 - 78 °C View Scheme

: 88-61-9
2,4-dimethylbenzenesulfonic acid

: 13616-82-5
2,4-dimethyl-thiophenol

Conditions

Conditions	Yield
With diphosphorus pentasulfide; lithium aluminium tetrahydride 1.) sulfolane, 90 deg C for 24 h 2.) ether, room temperature for 30 min; Yield given. Multistep reaction;

: 583-70-0
1-bromo-2,4-dimethylbenzene

: 13616-82-5
2,4-dimethyl-thiophenol

Conditions

Conditions	Yield
With sulfur; magnesium 1.) ether; Multistep reaction;

: 140-89-6
potassium ethyl xanthogenate

diazonium chloride from 4-amino-1.3-dimethyl-benzene: diazonium chloride from 4-amino-1.3-dimethyl-benzene

: 13616-82-5
2,4-dimethyl-thiophenol

Conditions

Conditions	Yield
Verseifen des Reaktionsprodukts mit alkoh. Kali;

: 108-38-3
m-xylene

: 13616-82-5
2,4-dimethyl-thiophenol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: chlorosulfonic acid / CHCl3 / 1 h / -5 - 20 °C 2: 69 percent / Zn, H2SO4 / H2O / 1.) 0 deg C, 1 h, 2.) reflux, 6 h View Scheme

: 108-38-3
m-xylene

air: air

: 13616-82-5
2,4-dimethyl-thiophenol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: ClSO3H 2: Zn, aq. H2SO4 View Scheme

: 1442637-86-6
bis(2,4-dimethylphenylthiomethyl)-(1-methylbenzimidazol-2-ylmethyl)amine

A: 13616-82-5
2,4-dimethyl-thiophenol

B: 1266253-61-5
bis((2,4-dimethylphenyl)thio)methane

C: 13616-83-6
1,2-bis(2,4-dimethylphenyl)disulfane

Conditions

Conditions	Yield
With copper(II) perchlorate hexahydrate In [D3]acetonitrile Mechanism;

...Expand

: sodium 2,4-dimethylbenzenesulfinate

: 13616-82-5
2,4-dimethyl-thiophenol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sulfur dioxide / water / 8 h / 115 °C / Inert atmosphere 2: sodium tetrahydroborate; sodium hydroxide / water; ethanol / 3 h / 78 - 80 °C / Inert atmosphere View Scheme

: 13616-82-5
2,4-dimethyl-thiophenol

: 100-00-5
4-chlorobenzonitrile

: 105456-67-5
(2,4-dimethylphenyl)(4-nitrophenyl)sulfane

Conditions

Conditions	Yield
With 2.9-dimethyl-1,10-phenanthroline; sodium t-butanolate; La0.9Ce0.1Co0.6Cu0.4O3 In toluene at 110℃; for 48h; Ullmann reaction; microwave irradiation;	100%
With sodium ethanolate In ethanol for 3h; Heating;	68%

: 13616-82-5
2,4-dimethyl-thiophenol

: 88-73-3
2-Chloronitrobenzene

: 2,4-dimethyl-1-[(2-nitro-phenyl)-sulfanyl]-benzene

Conditions

Conditions	Yield
With sodium hydroxide In ethanol; water at 50℃; for 5h;	100%
With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 2.5h; Inert atmosphere;	99.79%
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 18h; Inert atmosphere;	97%

: 352-34-1
4-fluoro-1-iodobenzene

: 13616-82-5
2,4-dimethyl-thiophenol

: 1-(4-Fluoro-phenylsulfanyl)-2,4-dimethyl-benzene

Conditions

Conditions	Yield
With 2.9-dimethyl-1,10-phenanthroline; sodium t-butanolate; La0.9Ce0.1Co0.6Cu0.4O3 In toluene at 110℃; for 48h; Ullmann reaction; microwave irradiation;	100%
With bismuth(III) oxide; N,N-dimethylethylenediamine; potassium hydroxide In water at 100℃; for 26h; chemoselective reaction;	84%

: 583-55-1
1-Bromo-2-iodobenzene

: 13616-82-5
2,4-dimethyl-thiophenol

: 960203-41-2
(2′-bromophenyl)(2,4-dimethylphenyl)sulfane

Conditions

Conditions	Yield
With copper(l) iodide; 2.9-dimethyl-1,10-phenanthroline; sodium t-butanolate In toluene at 110℃; Solvent; Temperature; Reagent/catalyst;	100%
With potassium phosphate; copper(l) iodide In isopropyl alcohol at 80 - 90℃; Concentration; Inert atmosphere;	100%
With potassium tert-butylate; bis[2-(diphenylphosphino)phenyl] ether; bis(dibenzylideneacetone)-palladium(0) In toluene at 0 - 100℃; for 9.08333h; Product distribution / selectivity;	100%

: 13616-82-5
2,4-dimethyl-thiophenol

: 75-36-5
acetyl chloride

: 94602-20-7
S-(2,4-dimethylphenyl) ethanethioate

Conditions

Conditions	Yield
With pyridine In dichloromethane at 5 - 15℃; for 1h;	100%
With pyridine In dichloromethane at 0 - 25℃; for 2.16667h;	57%

: 13616-82-5
2,4-dimethyl-thiophenol

: 74880-42-5
2,4-dimethylbenzenesulphenyl chloride

Conditions

Conditions	Yield
With trichloroisocyanuric acid In ethyl acetate at 0℃; for 1h;	99%
With trichloroisocyanuric acid In ethyl acetate at 0℃; for 1h;	99%
With N-chloro-succinimide In dichloromethane for 2h; Ambient temperature;	75%

: 13616-82-5
2,4-dimethyl-thiophenol

: 13616-83-6
1,2-bis(2,4-dimethylphenyl)disulfane

Conditions

Conditions	Yield
With (tetrabenzoporphinato)iron(II) In tetrahydrofuran at 20℃; under 760.051 Torr; for 0.333333h;	99%
With sodium hydrogencarbonate; benzenesulfonyl chloride In water at 20℃; for 0.166667h;	98%
With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione In chloroform at 20℃; for 1h; Inert atmosphere;	93%

: 13616-82-5
2,4-dimethyl-thiophenol

: 99-90-1
para-bromoacetophenone

: 1-[4-(2,4-dimethyl-phenylsulfanyl)-phenyl]-ethanone

Conditions

Conditions	Yield
With 2.9-dimethyl-1,10-phenanthroline; sodium t-butanolate; La0.9Ce0.1Co0.6Cu0.4O3 In toluene at 110℃; for 48h; Ullmann reaction; microwave irradiation;	99%

: 13616-82-5
2,4-dimethyl-thiophenol

: tert-butyl (2-oxo-1-propylindolin-3-ylidene)carbamate

: tert-butyl (3-((2,4-dimethylphenyl)thio)-2-oxo-1-propylindolin-3-yl)carbamate

Conditions

Conditions	Yield
With C12H15CoN2O6(1-)*K(1+) In dichloromethane at 20℃; for 0.0833333h; Schlenk technique; Green chemistry;	99%

: 13616-82-5
2,4-dimethyl-thiophenol

: 200803-17-4
rac-2-(2-bromophenyl)-1-tosylaziridine

: 1429656-45-0
3-(2,4-dimethylphenylthio)-1-tosylindoline

Conditions

Conditions	Yield
Stage #1: 2,4-dimethyl-thiophenol; rac-2-(2-bromophenyl)-1-tosylaziridine With potassium carbonate In toluene at 20℃; for 0.416667h; Inert atmosphere; Stage #2: With palladium diacetate; potassium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In toluene at 110 - 115℃; for 4h; Inert atmosphere;	98%

: 13616-82-5
2,4-dimethyl-thiophenol

: 1493-27-2
ortho-nitrofluorobenzene

: 2,4-dimethyl-1-[(2-nitro-phenyl)-sulfanyl]-benzene

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 25℃; for 2.5h;	98%
Stage #1: 2,4-dimethyl-thiophenol With potassium carbonate In N,N-dimethyl-formamide at 25℃; Stage #2: ortho-nitrofluorobenzene In N,N-dimethyl-formamide at 25℃; for 2.5h;	98%
With tetrabutylammomium bromide; potassium hydroxide In water at 20℃; for 10h; Reagent/catalyst;	96%

: 13616-82-5
2,4-dimethyl-thiophenol

: 1266617-35-9
methyl 2-butoxy-6-methyl-3,4-dihydro-2H-pyran-5-carboxylate

: 1266617-45-1
methyl 2-acetyl-5,5-bis((2,4-dimethylphenyl)thio)pentanoate

Conditions

Conditions	Yield
With manganese(II) bromide In nitromethane at 80℃; for 6h;	97%

: 348-51-6
1-chloro-2-fluorobenzene

: 13616-82-5
2,4-dimethyl-thiophenol

: (2-chlorophenyl)(2,4-dimethylphenyl)sulfane

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 120℃; for 72h; Reagent/catalyst; Temperature; Inert atmosphere;	97%

: 13616-82-5
2,4-dimethyl-thiophenol

: C26H25NO2S

A: C26H25NO2S

B: C26H25NO2S

Conditions

Conditions	Yield
With n-butyllithium; C23H25NO2 In 5,5-dimethyl-1,3-cyclohexadiene; benzene at -20℃; enantioselective reaction;	A 97% B n/a

...Expand

: 50-00-0
formaldehyd

: 3406-03-9
2-(phenylsulfonyl)acetophenone

: 13616-82-5
2,4-dimethyl-thiophenol

: 1370551-06-6
3-[(2,4-dimethylphenyl)thio]-1-phenyl-2-(phenylsulfonyl)propan-1-one

Conditions

Conditions	Yield
With D-gluconic acid; 1-deoxy-1-(methylamino)-D-glucitol In water at 100℃; for 12h;	96%

...Expand

: 13616-82-5
2,4-dimethyl-thiophenol

: 762-42-5
dimethyl acetylenedicarboxylate

: 1429655-26-4
dimethyl 5,7-dimethylbenzo[b]thiophene-2,3-dicarboxylate

Conditions

Conditions	Yield
With benzoic acid; 9-(2-mesityl)-10-methylacridinium perchlorate In chloroform at 20℃; for 10h; Inert atmosphere; Irradiation;	96%
With air In 1,4-dioxane at 80℃;	86%
With oxygen; manganese(II) acetate; benzoic acid In 1,2-dichloro-ethane at 50℃; for 2h; Schlenk technique;	65%

: 13616-82-5
2,4-dimethyl-thiophenol

: methyl 2-acetyl-5-butoxy-5-(phenylthio)pentanoate

: 1266617-56-4
methyl 2-acetyl-5-((2,4-dimethylphenyl)thio)-5-(phenylthio)pentanoate

Conditions

Conditions	Yield
With manganese(II) bromide In nitromethane at 80℃; for 11h;	95%

: 13616-82-5
2,4-dimethyl-thiophenol

: silver nitrate

: silver 2,4-dimethylbenzenethiolate

Conditions

Conditions	Yield
In acetonitrile for 24h;	95%

: 13616-82-5
2,4-dimethyl-thiophenol

: 108-88-3
toluene

: 76293-13-5
2,4‐dimethyl‐9H‐thioxanthene‐9‐one

Conditions

Conditions	Yield
Stage #1: 2,4-dimethyl-thiophenol; toluene With lithium hydroxide; ortho-chlorobenzoic acid at 120℃; for 12h; Stage #2: With chlorosulfonic acid; sulfuric acid at 20℃; for 7h;	94.4%

: N-(2-bromophenyl)-N'-methylpiperazine

: 13616-82-5
2,4-dimethyl-thiophenol

: 1293489-87-8
4-methyl-1-{2-[(2,4-dimethylphenyl)sulfanyl]phenyl}piperazine

Conditions

Conditions	Yield
With 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; bis(dibenzylideneacetone)-palladium(0); sodium t-butanolate In toluene for 24h; Reflux;	94.3%

: 1011-13-8
1-(2-bromophenyl)piperazine

: 13616-82-5
2,4-dimethyl-thiophenol

: 508233-74-7
vortioxetine

Conditions

Conditions	Yield
With sodium hydroxide In water; N,N-dimethyl-formamide at 80 - 90℃; for 4.5h; pH=8-9;	94.1%

: 111-34-2
-butyl vinyl ether

: 13616-82-5
2,4-dimethyl-thiophenol

: ethane-1,1-diylbis((2,4-dimethylphenyl)sulfane)

Conditions

Conditions	Yield
With oxygen; copper(ll) bromide at 50℃; for 3h; Sealed tube;	94%

: 13616-82-5
2,4-dimethyl-thiophenol

: 104-88-1
4-chlorobenzaldehyde

: 126-81-8
dimedone

: 1609076-50-7
2-{(4-chlorophenyl)[(2,4-dimethylphenyl)thio]methyl}-3-hydroxy-5,5-dimethylcyclohex-2-enone

Conditions

Conditions	Yield
With L-proline In ethanol at 30℃; for 6h;	93%

...Expand

: 13616-82-5
2,4-dimethyl-thiophenol

: 80-62-6
methacrylic acid methyl ester

: methyl 3-((2,4-dimethylphenyl)thio)-2-hydroxy-2-methylpropanoate

Conditions

Conditions	Yield
Stage #1: 2,4-dimethyl-thiophenol; methacrylic acid methyl ester In 1,2-dichloro-ethane; acetonitrile at 20℃; for 3h; Stage #2: With triphenylphosphine In 1,2-dichloro-ethane; acetonitrile for 2h;	93%
With oxygen; copper diacetate; benzoic acid In 1,2-dichloro-ethane at 50℃; for 3h;	66%

: 1809-19-4
dibutyl hydrogen phosphite

: 13616-82-5
2,4-dimethyl-thiophenol

: O,O-dibutyl S-(2,4-dimethylphenyl) phosphorothioate

Conditions

Conditions	Yield
With 1,3-dichloro-5,5-dimethylhydantoin In dichloromethane at 20℃; for 0.166667h;	93%
With tetra-(n-butyl)ammonium iodide In acetonitrile at 20℃; for 7h; Inert atmosphere; Electrochemical reaction; Green chemistry;	54%

: 1189-24-8
diisobutyl phosphite

: 13616-82-5
2,4-dimethyl-thiophenol

: S-(2,4-dimethylphenyl) O,O-diisobutyl thiophosphate

Conditions

Conditions	Yield
With 1,3-dichloro-5,5-dimethylhydantoin In dichloromethane at 20℃; for 0.166667h;	93%

: chloroauric acid

: 13616-82-5
2,4-dimethyl-thiophenol

: Au(1+)*C8H9S(1-)

Conditions

Conditions	Yield
In acetonitrile for 24h;	93%

: 110-85-0
piperazine

: 583-55-1
1-Bromo-2-iodobenzene

: 13616-82-5
2,4-dimethyl-thiophenol

: 508233-74-7
vortioxetine

Conditions

Conditions	Yield
With copper(l) iodide; tetrabutylammomium bromide; potassium hydroxide In water at 70 - 80℃; for 10h; Temperature; Reagent/catalyst; Green chemistry;	92.6%
With sodium t-butanolate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; bis(dibenzylideneacetone)-palladium(0) In toluene at 20℃; Product distribution / selectivity; Heating / reflux;
Stage #1: 1-Bromo-2-iodobenzene; 2,4-dimethyl-thiophenol With copper(l) iodide; N,N-dimethylethylenediamine; sodium t-butanolate In toluene at 110 - 120℃; for 20h; Inert atmosphere; Stage #2: piperazine With potassium tert-butylate In toluene at 110 - 120℃; for 24h; Reagent/catalyst; Inert atmosphere;	13.7 g

...Expand

2,4-Dimethylbenzenethiol Chemical Properties

IUPAC Name: 2,4-Dimethylbenzenethiol
Canonical SMILES: CC1=CC(=C(C=C1)S)C
InChI: InChI=1S/C8H10S/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3
InChIKey: AMNLXDDJGGTIPL-UHFFFAOYSA-N
Molecular Weight: 138.23 [g/mol]
Molecular Formula: C₈H₁₀S
XLogP3: 2.8
EINECS: 237-100-0
Index of Refraction: 1.568
Molar Refractivity: 44.07 cm³
Molar Volume: 134.5 cm³
Surface Tension: 36.6 dyne/cm
Density: 1.027 g/cm³
Flash Point: 58.3 °C
Enthalpy of Vaporization: 42.61 kJ/mol
Boiling Point: 208 °C at 760 mmHg
Vapour Pressure: 0.315 mmHg at 25 °C
Sensitive: Stench
Appearance: clear yellow liquid
Product Categories of Benzenethiol,2,4-dimethyl- (CAS NO.13616-82-5): THIOL; Phenol & Thiophenol & Mercaptan; Phenoles and thiophenoles

2,4-Dimethylbenzenethiol Safety Profile

Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-37/39-36-7/9
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S37/39:Wear suitable gloves and eye/face protection.
S36:Wear suitable protective clothing.
S7:Keep container tightly closed.
S9:Keep container in a well-ventilated place.
RIDADR: UN 1993 3/PG 3
WGK Germany: 3
Hazard Note: Irritant/Stench
TSCA: T
HazardClass: 3
PackingGroup of Benzenethiol,2,4-dimethyl- (CAS NO.13616-82-5): III

2,4-Dimethylbenzenethiol Specification

Benzenethiol,2,4-dimethyl- (CAS NO.13616-82-5), its Synonyms are 2,4-Dimethylbenzenethiol ; 2,4-Dimethylthiophenol ; 2,4-Thioxylenol ; 2,4-Xylenethiol (8CI) .

Product Name

2,4-Dimethylbenzenethiol

Synthetic route

2,4-Dimethylbenzenethiol Chemical Properties

2,4-Dimethylbenzenethiol Safety Profile

2,4-Dimethylbenzenethiol Specification

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